Information card for entry 4063866

Structure parameters

• Formula: C34 H33 Cl N P Ru
• Calculated formula: C34 H33 Cl N P Ru
• SMILES: [Ru]123456(Cl)([N](=P(c7c1cccc7)(c1ccccc1)c1ccccc1)c1ccccc1)[c]1(C)[cH]2[cH]3[c]4([cH]5[cH]61)C(C)C
• Title of publication: Cycloruthenated Complexes from Iminophosphoranes: Synthesis, Structure, and Reactivity with Internal Alkynes
• Authors of publication: Aguilar, David; Bielsa, Raquel; Soler, Tatiana; Urriolabeitia, Esteban P.
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 3
• Pages of publication: 642
• a: 10.0506 ± 0.0003 Å
• b: 16.1798 ± 0.0003 Å
• c: 17.5873 ± 0.0004 Å
• α: 90°
• β: 99.827 ± 0.003°
• γ: 90°
• Cell volume: 2818.03 ± 0.12 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0381
• Residual factor for significantly intense reflections: 0.0254
• Weighted residual factors for significantly intense reflections: 0.0576
• Weighted residual factors for all reflections included in the refinement: 0.0594
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No